CID 543695

Aziridine, compd with 2,4,5-trichlorophenyl acrylate

Structural Information

Molecular Formula
C9H5Cl3O2
SMILES
C=CC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl
InChI
InChI=1S/C9H5Cl3O2/c1-2-9(13)14-8-4-6(11)5(10)3-7(8)12/h2-4H,1H2
InChIKey
WPRNUAVQZCFEOA-UHFFFAOYSA-N
Compound name
(2,4,5-trichlorophenyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

249.93552 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.94280 143.4
[M+Na]+ 272.92474 154.9
[M-H]- 248.92824 146.1
[M+NH4]+ 267.96934 162.4
[M+K]+ 288.89868 149.0
[M+H-H2O]+ 232.93278 140.8
[M+HCOO]- 294.93372 152.7
[M+CH3COO]- 308.94937 191.2
[M+Na-2H]- 270.91019 146.2
[M]+ 249.93497 148.2
[M]- 249.93607 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.